CID 13576440

6-bromo-9h-pyrido[2,3-b]indole

Structural Information

Molecular Formula
C11H7BrN2
SMILES
C1=CC2=C(NC3=C2C=C(C=C3)Br)N=C1
InChI
InChI=1S/C11H7BrN2/c12-7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10/h1-6H,(H,13,14)
InChIKey
XCNVELJEUIETFR-UHFFFAOYSA-N
Compound name
6-bromo-9H-pyrido[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

245.97926 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98654 145.0
[M+Na]+ 268.96848 159.7
[M-H]- 244.97198 150.3
[M+NH4]+ 264.01308 167.1
[M+K]+ 284.94242 147.0
[M+H-H2O]+ 228.97652 145.1
[M+HCOO]- 290.97746 164.6
[M+CH3COO]- 304.99311 160.4
[M+Na-2H]- 266.95393 155.3
[M]+ 245.97871 164.1
[M]- 245.97981 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe